5-ethyl-1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(3-fluorophenyl)-3-isobutyl-pyrazole-4-carboxylic acid CAS Name: 5-ethyl-1-(3-fluorophenyl)-3-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-1-(3-fluorophenyl)-3-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 5-ethyl-1-(3-fluorophenyl)-3-isobutyl-pyrazole-4-carboxylic acid Formula: C16H19FN2O2 MolecularWeight: 290.332663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=CC=C2)F)CC(C)C)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=CC=C2)F)CC(C)C)C(=O)O

InChI

InChI=1S/C16H19FN2O2/c1-4-14-15(16(20)21)13(8-10(2)3)18-19(14)12-7-5-6-11(17)9-12/h5-7,9-10H,4,8H2,1-3H3,(H,20,21)